MDPI-ZINC04292562 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.3250 1.1050 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.2750 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -0.8190 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.0090 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.3970 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 1.9410 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.5580 -0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.1170 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 1.2940 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 -0.9970 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0490 -1.0180 -0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 0.1590 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 0.2010 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8820 -0.9670 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2760 -0.9100 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9270 0.3170 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 1.4880 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 1.4480 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 2.7260 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 2.5970 -0.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9590 -2.2330 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -1.9520 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -3.5610 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -4.5780 -0.1520 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 -3.7410 -1.2530 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 -3.7730 0.9300 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 1.5300 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -0.9330 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -1.9020 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 2.0920 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 3.0200 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 1.1240 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3890 -1.9340 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -1.8260 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0120 0.3660 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6970 2.4450 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 3.8160 -0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 20 -1 M END